scholarly journals Diffusion dynamics of supercooled water modeled with the cage-jump motion and hydrogen-bond rearrangement

2019 ◽  
Vol 150 (20) ◽  
pp. 204502 ◽  
Author(s):  
Takuma Kikutsuji ◽  
Kang Kim ◽  
Nobuyuki Matubayasi
Keyword(s):  
Hydrogen Bond ◽  
Supercooled Water ◽  
Diffusion Dynamics ◽  
Bond Rearrangement

Hydrogen-Bond Rearrangement and Intermolecular Proton Transfer in Protonated Methanol Clusters

1999 ◽  
Vol 39 (3-4) ◽  
pp. 231-243 ◽  
Author(s):  
Huan-Cheng Chang ◽  
Jyh-Chiang Jiang ◽  
Hai-Chou Chang ◽  
Lillian R. Wang ◽  
Yuan T. Lee
Keyword(s):  
Hydrogen Bond ◽  
Proton Transfer ◽  
Intermolecular Proton Transfer ◽  
Bond Rearrangement

MmHn(XO4)(m+n)/2crystals: structure, phase transitions, hydrogen bonds, conductivity. I. K9H7(SO4)8·H2O crystals – a new representative of the family of solid acid conductors

2014 ◽  
Vol 70 (2) ◽  
pp. 218-226 ◽  
Author(s):  
Irina Makarova ◽  
Vadim Grebenev ◽  
Elena Dmitricheva ◽  
Valentina Dolbinina ◽  
Dmitry Chernyshov
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Water Molecules ◽  
Outward Diffusion ◽  
The Family ◽  
Bond Network ◽  
Dielectric And Optical Properties ◽  
Bond Rearrangement ◽  
Crystal Bulk

To reveal the structural conditionality for anomalies in physical properties, including dielectric and optical properties, diffraction studies of K9H7(SO4)8·H2O crystals were performed using synchrotron radiation in the temperature range 293–450 K and determined at 405 K, taking H atoms into account. The results indicate that the occurrence of high conductivity in K9H7(SO4)8·H2O crystals with a temperature increase is associated with the outward diffusion of water molecules, hydrogen-bond network rearrangement and the formation of channels for the possible motion of K+ions. A rearranged system of hydrogen bonds consists of permanent bonds and partly of dynamically disordered bonds. Hydrogen-bond rearrangement and the hindered back diffusion of water to the crystal bulk stabilize the high-temperature crystal structure right down to room temperature.

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